General Information of the Compound
| Compound ID |
CP0578577
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6,6-dimethyl-7,10,11-trioxonaphtho[1,2-g][1]benzofuran-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H12O6
|
||||||||||||||||||
| Molecular Weight |
336.299
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)C(=O)C=Cc2c1ccc1-c3occ(C(O)=O)c3C(=O)C(=O)c21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H12O6/c1-19(2)11-5-3-9-13(8(11)4-6-12(19)20)15(21)16(22)14-10(18(23)24)7-25-17(9)14/h3-7H,1-2H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMRHFGJKGKOJAI-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound